0 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 8.89145 5.7343 13.2274 9.31461 15.5014 3.84732 11.4855 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.00925 8.68949 16.2669 6.92865 11.3728 8.33226 9.31461 15.5014 3.84732 5.96331 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.3147 8.75001 10.2713 7.78708 9.38012 5.18509 9.97466 15.257 12.5764 8.32752 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 9.3147 8.75001 10.2713 7.84393 10.5285 12.48 9.97466 15.257 12.5764 6.3033 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 9.79426 8.75001 12.053 7.78708 9.55318 5.18509 9.97466 4.78277 12.5764 8.32752 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 9.79426 8.75001 12.053 7.84393 9.84922 12.48 9.97466 4.78277 12.5764 6.3033 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 8.37503 6.40527 11.4088 7.88072 7.22162 3.90342 9.52037 numMergedOcc 0
7 mol 42 unq 0 iso 0 dist 8.84148 5.52834 5.21506 8.52254 6.73507 4.38082 7.53194 4.80255 4.62559 3.53534 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 8.36915 9.53081 13.2937 5.36645 8.03277 12.299 5.43913 5.44336 13.4515 3.63758 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 8.36915 9.53081 13.2937 5.36645 8.03277 12.299 8.26877 10.4965 17.6258 6.88863 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 6.01454 9.53081 5.41488 5.36645 9.26483 12.299 5.43913 9.12054 13.4515 3.63758 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 6.01454 9.53081 5.41488 5.36645 9.26483 12.299 8.26877 13.688 17.6258 6.88863 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 6.65963 5.38 4.98711 9.64136 4.24788 11.1718 7.73234 numMergedOcc 0
13 mol 127 unq 1 iso 0 dist 8.98151 5.83719 8.21735 8.62711 6.75619 11.2447 9.64136 4.24788 11.1718 3.97136 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 6.68364 6.87456 7.87375 5.30872 5.4432 8.03483 8.10681 9.19685 3.9771 7.20921 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 9.82329 7.20545 9.97915 8.58946 13.1346 4.70374 8.43955 9.16459 6.87479 6.13061 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 6.99623 6.3719 5.25279 9.12589 9.6014 9.57585 4.42375 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 7.02662 8.72949 8.01622 6.99623 6.3719 5.80721 9.12589 9.6014 3.91982 4.42375 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 8.33847 6.87235 12.2372 8.01593 7.62813 3.86973 10.043 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 6.12202 9.34051 10.3702 9.81087 7.96313 7.24261 8.67957 12.2201 4.66969 10.7853 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 6.47376 5.34376 4.51031 9.98182 6.3791 5.04826 5.84996 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 6.47376 5.86731 4.51031 9.98182 9.86569 5.04826 5.84996 numMergedOcc 0
